N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide

C14H16N2O3 — CID 108793579

IUPACN-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCNC=O)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-8-4-7-15-9-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZQSFTVMBMLKQJT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.61
Rot. Bonds6

About N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide

N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 108793579) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID108793579
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCNC=O)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-8-4-7-15-9-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZQSFTVMBMLKQJT-UHFFFAOYSA-N
XLogP1.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627
N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 27685590
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 49357654
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide (CID 108793579) is N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCCNC=O)oc2ccccc12.
What is the InChIKey of N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZQSFTVMBMLKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-8-4-7-15-9-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108793579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).